2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol

C19H31N3O2 — CID 110888313

IUPAC2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(OCCN3CCCC3)cc2)CC1
InChIInChI=1S/C19H31N3O2/c23-15-13-21-9-11-22(12-10-21)17-18-3-5-19(6-4-18)24-16-14-20-7-1-2-8-20/h3-6,23H,1-2,7-17H2
InChIKeyVFUZTZLSUUYAQE-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.27
Rot. Bonds8

About 2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol

2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 110888313) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
PubChem CID110888313
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(OCCN3CCCC3)cc2)CC1
InChIInChI=1S/C19H31N3O2/c23-15-13-21-9-11-22(12-10-21)17-18-3-5-19(6-4-18)24-16-14-20-7-1-2-8-20/h3-6,23H,1-2,7-17H2
InChIKeyVFUZTZLSUUYAQE-UHFFFAOYSA-N
XLogP1.27
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol
CID 10990902
1-[2-(4-nitrophenoxy)ethyl]pyrrolidine;2-pyrrolidin-1-ylethanol
CID 158202191
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride
CID 175600849
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 66515465
4-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 34704521
1-[[4-(4-bromobutoxy)phenyl]methyl]piperidine
CID 25267143

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol (CID 110888313) is 2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2ccc(OCCN3CCCC3)cc2)CC1.
What is the InChIKey of 2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is VFUZTZLSUUYAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c23-15-13-21-9-11-22(12-10-21)17-18-3-5-19(6-4-18)24-16-14-20-7-1-2-8-20/h3-6,23H,1-2,7-17H2.
What are the key properties of 2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 333.48 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 110888313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).